CID 11788620

149507-37-9

Structural Information

Molecular Formula
C9H13BO3
SMILES
B(C1=C(C(=C(C=C1)OC)C)C)(O)O
InChI
InChI=1S/C9H13BO3/c1-6-7(2)9(13-3)5-4-8(6)10(11)12/h4-5,11-12H,1-3H3
InChIKey
MJKKULUFDFFWEV-UHFFFAOYSA-N
Compound name
(4-methoxy-2,3-dimethylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

180.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10306 135.8
[M+Na]+ 203.08500 144.5
[M-H]- 179.08850 137.6
[M+NH4]+ 198.12960 155.3
[M+K]+ 219.05894 142.8
[M+H-H2O]+ 163.09304 131.0
[M+HCOO]- 225.09398 156.8
[M+CH3COO]- 239.10963 179.0
[M+Na-2H]- 201.07045 139.5
[M]+ 180.09523 137.2
[M]- 180.09633 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe